1-(4-Nitrophenyl)cyclopropanecarbonitrile

Base Information

• Chemical Name: 1-(4-Nitrophenyl)cyclopropanecarbonitrile
• CAS No.: 408328-42-7
• Molecular Formula: C10H8N2O2
• Molecular Weight: 188.186
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID80402846
• Wikidata: Q82206356
• Mol file: 408328-42-7.mol

Synonyms:1-(4-nitrophenyl)cyclopropanecarbonitrile;408328-42-7;1-(4-nitrophenyl)cyclopropane-1-carbonitrile;1-(4-nitro-phenyl)-cyclopropanecarbonitrile;MFCD07374412;SCHEMBL1769324;DTXSID80402846;YUHRZXOPOFLZEV-UHFFFAOYSA-N;STK105186;AKOS005397603;AB39396;AS-82694;SY225538;1-(4-Nitrophenyl)cyclopropane carbonitrile;CS-0452248;EN300-1866943;A873218

Chemical Property of 1-(4-Nitrophenyl)cyclopropanecarbonitrile

Chemical Property:

• PSA: 69.61000
• LogP: 2.67318
• Storage Temp.: 2-8°C
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 188.058577502
• Heavy Atom Count: 14
• Complexity: 287

Purity/Quality:

97% ^*data from raw suppliers

1-(4-Nitrophenyl)cyclopropanecarbonitrile 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CC1(C#N)C2=CC=C(C=C2)[N+](=O)[O-]

Technology Process of 1-(4-Nitrophenyl)cyclopropanecarbonitrile

There total 5 articles about 1-(4-Nitrophenyl)cyclopropanecarbonitrile which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 85.0%

4-Nitrophenylacetonitrile (555-21-5,34512-13-5,174848-08-9) + ethylene dibromide (106-93-4) → 1-(4-nitrophenyl)-1-cyclopropylcarbonitrile (408328-42-7)

Guidance literature:

With tetrabutylammomium bromide; sodium hydroxide; In acetonitrile; at 40 ℃; for 8h;

DOI:10.1002/cmdc.201900730

Reference yield: 72.0%

1-cyano-1-phenylcyclopropane (935-44-4) → 1-(4-nitrophenyl)-1-cyclopropylcarbonitrile (408328-42-7)

Guidance literature:

With sulfuric acid; nitric acid; In neat (no solvent); at 20 ℃; for 0.75h; Cooling with ice; Inert atmosphere;

Reference yield:

→ 1-(4-nitrophenyl)-1-cyclopropylcarbonitrile (408328-42-7)

Guidance literature:

With sulfuric acid; nitric acid;

DOI:10.1021/ja01174a037

upstream raw materials:

4-Nitrophenylacetonitrile

ethylene dibromide

1-cyano-1-phenylcyclopropane

phenylacetonitrile

Downstream raw materials:

1-(4-aminophenyl)cyclopropanecarbonitrile

C-[1-(4-nitro-phenyl)-cyclopropyl]-methylamine

1-(4-nitrophenyl)-hydroxymethylcyclopropane

1-(4-nitrophenyl)cyclopropane-1-carboxylic acid